General Information of the Compound
| Compound ID |
CP0708058
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| Compound Name |
rac-endo-N-Phenyl-5,6-bis(4-hydroxyphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide-7-oxide
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| Structure |
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| Formula |
C26H19NO5S
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| Molecular Weight |
457.507
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| Canonical SMILES |
O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@@H]1C(c3ccc(O)cc3)=C(c3ccc(O)cc3)[C@H]2[S+]1[O-]
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| InChI |
InChI=1S/C26H19NO5S/c28-17-10-6-14(7-11-17)19-20(15-8-12-18(29)13-9-15)24-22-21(23(19)33(24)32)25(30)27(26(22)31)16-4-2-1-3-5-16/h1-13,21-24,28-29H/t21-,22+,23-,24+,33?
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| InChIKey |
ATNIZSILVRCDMK-YMOLMAJCSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound